2-(cyclopropylmethylamino)-2-methylbutan-1-ol

C9H19NO — CID 61054003

IUPAC2-(cyclopropylmethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC1CC1
InChIInChI=1S/C9H19NO/c1-3-9(2,7-11)10-6-8-4-5-8/h8,10-11H,3-7H2,1-2H3
InChIKeyMCTAHASPWXWOPC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.15
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-methylbutan-1-ol

2-(cyclopropylmethylamino)-2-methylbutan-1-ol (PubChem CID 61054003) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-methylbutan-1-ol
PubChem CID61054003
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-(cyclopropylmethylamino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCC1CC1
InChIInChI=1S/C9H19NO/c1-3-9(2,7-11)10-6-8-4-5-8/h8,10-11H,3-7H2,1-2H3
InChIKeyMCTAHASPWXWOPC-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-3-methylpentan-3-amine
CID 103746706
N-[(4-tert-butylcyclohexyl)methyl]-3-methylpentan-3-amine
CID 106327957
2-(cyclopentylmethylamino)-2-methylpentan-1-ol
CID 115882646
3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
CID 115685650
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-2-methylbutan-1-ol
CID 103276827
2-(1,3-dioxan-4-ylmethylamino)-2-methylbutan-1-ol
CID 81101332
N-(2-cyclopropylethyl)-3-methylpentan-3-amine
CID 103746662
1-chloro-2-methyl-N-(oxan-4-ylmethyl)butan-2-amine
CID 65025269
2-methyl-2-(piperidin-4-ylmethylamino)propan-1-ol
CID 79708070
2-[(2-hydroxy-2-methylpropyl)amino]-2-methylbutan-1-ol
CID 64548728
2-[[(4-ethylcyclohexyl)methylamino]methyl]-2-methylbutan-1-ol
CID 81419618
N-(1,3-dioxolan-2-ylmethyl)-3-methylpentan-3-amine
CID 131176990

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-methylbutan-1-ol?
The IUPAC name of 2-(cyclopropylmethylamino)-2-methylbutan-1-ol (CID 61054003) is 2-(cyclopropylmethylamino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-methylbutan-1-ol is CCC(C)(CO)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-methylbutan-1-ol?
The InChIKey is MCTAHASPWXWOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-9(2,7-11)10-6-8-4-5-8/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-(cyclopropylmethylamino)-2-methylbutan-1-ol?
2-(cyclopropylmethylamino)-2-methylbutan-1-ol has a molecular weight of 157.26 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-methylbutan-1-ol is sourced from PubChem (CID 61054003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).